Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50039731
Substrate
n/a
Meas. Tech.
ChEMBL_28756 (CHEMBL641020)
IC50
26±n/a nM
Citation
 Tong, W; Collantes, ER; Chen, Y; Welsh, WJ A comparative molecular field analysis study of N-benzylpiperidines as acetylcholinesterase inhibitors. J Med Chem 39:380-7 (1996) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50039731
Synonyms:
3-(2-(1-benzylpiperidin-4-yl)ethyl)benzo[d]isoxazol-6-ol | 3-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-benzo[d]isoxazol-6-ol | CHEMBL92463
Type:
Small organic molecule
Emp. Form.:
C21H24N2O2
Mol. Mass.:
336.4275
SMILES:
Oc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1
Structure:
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